9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

C18H11Cl2N5O3 — CID 24936459

IUPAC9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H11Cl2N5O3/c19-10-5-2-6-11(12(10)20)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyWKVYFJGSNBRMLV-UHFFFAOYSA-N
MW416.22 g/mol
LogP2.89
Rot. Bonds3

About 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 24936459) has the molecular formula C18H11Cl2N5O3 and a molecular weight of 416.22 g/mol. Its IUPAC name is 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID24936459
Molecular FormulaC18H11Cl2N5O3
Molecular Weight416.22 g/mol
Exact Mass415.02
IUPAC Name9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H11Cl2N5O3/c19-10-5-2-6-11(12(10)20)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyWKVYFJGSNBRMLV-UHFFFAOYSA-N
XLogP2.89
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937606
9-(4-chlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603329
2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
CID 57474705
2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 16825178
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937986
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
CID 7119031
9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
CID 150272610
9-(2,3-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135787636

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 24936459) is 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1Cl.
What is the InChIKey of 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is WKVYFJGSNBRMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O3/c19-10-5-2-6-11(12(10)20)25-17-14(23-18(25)28)13(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28).
What are the key properties of 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 416.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 24936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).